1iiy
Solution NMR Structure of Complex of 1:2 Cyanovirin-N:Man-Alpha1,2-Man-Alpha Restrained Regularized Mean Coordinates
SAXS 散射曲线 SAXS Profile
P(r) 距离分布 P(r) Distribution
1. 结构基本信息 1. Structure Basics
| 条目编号 entry_id | 1iiy |
| 沉积日期 deposition_date | 2001-04-24 |
| 结构标题 title | Solution NMR Structure of Complex of 1:2 Cyanovirin-N:Man-Alpha1,2-Man-Alpha Restrained Regularized Mean Coordinates |
| 关键词 keywords | HIV-INACTIVATING PROTEIN, MAN-ALPHA1, 2-MAN-ALPHA, ANTIVIRAL PROTEIN; ANTIVIRAL PROTEIN |
| 实验方法 method | SOLUTION NMR |
2. SAXS 参数 (CRYSOL 理论计算) 2. SAXS Parameters (CRYSOL)
| 回转半径 Rg (Guinier) rg_guinier | 15.68 Å |
| 回转半径 Rg (电子) rg_electron | 14.63 Å |
| 零角强度 I(0) i0 | 3126540.00 |
| 分子量 molecular_weight | 11697.0 kDa |
| 排除体积 excluded_volume | 14308 ų |
| 包络体积 envelope_volume | 16587 ų |
| 水化壳体积 shell_volume | 10462 ų |
| 包络直径 envelope_diameter | 56.3 Å |
| 壳层 Rg shell_rg | 19.24 Å |
| 包络 Rg envelope_rg | 14.90 Å |
| 形状 Rg shape_rg | 14.61 Å |
| 总 Rg total_rg | 15.60 Å |
| 总原子数 total_atoms | 1601 |
| 残基数 n_residues | 101 |
| 球谐函数阶数 n_harmonics | 20 |
| q 范围 q_range | — – 0.5000 Å−1 |
| 数据点数 n_points | 101 |
| 壳层类型 shell_type | directional |
| 溶剂电子密度 solvent_density | 0.3340 e/ų |
| 壳层衬度 contrast_shell | 0.0300 e/ų |
| CRYSOL 版本 crysol_version | 4.1.3 |
3. P(r) 距离分布 (GNOM 反演) 3. P(r) Analysis (GNOM)
| 最大尺寸 Dmax dmax | 56.8 Å |
| Rg (实空间) rg_real | 15.76 Å |
| Rg 误差 (实空间) rg_real_error | 0.35 Å |
| I(0) (实空间) i0_real | 3.1270e+06 |
| I(0) 误差 (实空间) i0_real_error | 3.2240e+04 |
| Rg (倒空间) rg_reciprocal | 15.75 Å |
| I(0) (倒空间) i0_reciprocal | 3127000.0000 |
| 解质量估计 total_estimate | 0.6573 |
| 解质量评级 solution_quality | REASONABLE a REASONABLE solution |
| P(r) 峰数 n_peaks | 2 |
| 主峰位置 r_peak_primary | 16.6 Å |
| 偏度 Skewness skewness | 0.495 |
| 峰度 Kurtosis kurtosis | -0.100 |
| 角度范围 angular_range | — – 0.5000 Å−1 |
| 当前正则化参数 α current_alpha | 0.0000 |
| 最高正则化参数 α highest_alpha | 530800.0000 |
| 实空间数据点数 n_real_points | 80 |
| GNOM 版本 gnom_version | 4.1.3 |
| 质量判据 quality_criteria | AN1: 0.000; Oscil: 0.694; Stabil: 1.000; Sysdev: 0.256; Positv: 1.000; Valcen: 0.745; Smooth: 0.945 |
4. 晶体学与实验 4. Crystallography & Experiment
5. 实体与聚合体信息 (2)
6. 折叠分类 (SCOP + CATH) 2 domains
SCOP 2.08 (1 domains)
| 结构域编号 domain_id | d1iiya_ |
| 类 Class class | b — All beta proteins |
| 折叠类型 Fold fold | b.89 — Cyanovirin-N |
| 超家族 Superfamily superfamily | b.89.1 — Cyanovirin-N |
| 家族 Family family | b.89.1.1 — Cyanovirin-N |
CATH v4.4 (1 domains)
| 结构域编号 domain_id | 1iiyA00 |
| 类 Class class | 2 — Mainly Beta |
| 架构 Architecture architecture | 30 — Roll |
| 拓扑 Topology topology | 60 — HIV-inactivating Protein, Cyanovirin-n |
| 同源超家族 H-superfamily homologous superfamily | 10 — Cyanovirin-N |